SCHEMBL29098261

SCHEMBL29098261

O=[PH](Oc1ccc2c(n1)CCNC2)Oc1ccc2c(n1)CCCN2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.34
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
GRM5 P41594 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29098262 0.78 CYP3A4 (0.37) CYP3A4POLBSMN1; SMN2
SCHEMBL29098324 0.74 CYP3A4 (0.32) CYP3A4
SCHEMBL30158287 0.70 DRD2 (0.37) CYP11B2TSHR
SCHEMBL20571030 0.70 DRD2 (0.37) CYP11B2TSHR
SCHEMBL4774263 0.70 DRD2 (0.43) CYP3A4POLBSMN1; SMN2
SCHEMBL29098269 0.69 CYP3A4 (0.41) CYP3A4POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL26631633 0.68 CYP3A4 (0.40) CYP3A4POLBSMN1; SMN2
SCHEMBL2904220 0.66 MLNR (0.39) CYP3A4POLBSMN1; SMN2
SCHEMBL13090252 0.66 CYP3A4 (0.38) CYP3A4POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL2907597 0.65 CYP3A4 (0.38) CYP3A4POLBSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116710440-A Plasmin inhibitor, preparation method and application thereof 赛诺哈勃药业(成都)有限公司 2023-09-05 CN disclosed